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  1. Third-Parties
  2. MatprojStructure
  3. mp-1400076

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1400076
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 5
  • Element list: ['Sr', 'Co', 'Cu', 'S', 'O']
  • Chemical System: Co-Cu-O-S-Sr
  • Density: 5.157745166517696
  • Atomic Density: 0.06670027127701349
  • Unit Cell Volume: 209.89419880852472
  • Molar Volume: 9.02866007094543
  • Full Formula: Sr3 Co2 Cu2 S2 O5
  • Reduced Formula: Sr3Co2Cu2S2O5
  • Formula Anonymous: A2B2C2D3E5
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -85.38730192
  • Final energy per atom: -6.099092994285714
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.